USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -0.343 (180deg=-1.37) USER MOD Single : A 18 CYS SG : rot 180:sc= -0.758 USER MOD Single : A 19 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.3) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.832 F(o=-1.7!,f=-0.83) USER MOD Single : A 24 TYR OH : rot 76:sc= -0.411 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -2.05 F(o=-3,f=-2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -177:sc= -6.38! (180deg=-6.42!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 59 ASN : amide:sc= -10.5! C(o=-10!,f=-21!) USER MOD Single : A 62 THR OG1 : rot -35:sc= -6.73! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0505 X(o=-0.051,f=-0.42) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -171:sc= -9.66! (180deg=-10.1!) USER MOD Single : A 83 SER OG : rot 7:sc= -1.18! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -39:sc= 0.839 USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.768) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -10.839 -3.093 6.128 1.00 0.00 N ATOM 157 CA ALA A 12 -9.850 -2.418 7.015 1.00 0.00 C ATOM 158 C ALA A 12 -8.431 -2.656 6.491 1.00 0.00 C ATOM 159 O ALA A 12 -7.561 -1.817 6.619 1.00 0.00 O ATOM 160 CB ALA A 12 -10.035 -3.073 8.384 1.00 0.00 C ATOM 0 HA ALA A 12 -9.998 -1.339 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.340 -2.629 9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.057 -2.915 8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.840 -4.143 8.305 1.00 0.00 H new ATOM 166 N LEU A 13 -8.193 -3.795 5.900 1.00 0.00 N ATOM 167 CA LEU A 13 -6.833 -4.089 5.365 1.00 0.00 C ATOM 168 C LEU A 13 -6.485 -3.114 4.237 1.00 0.00 C ATOM 169 O LEU A 13 -5.369 -2.645 4.132 1.00 0.00 O ATOM 170 CB LEU A 13 -6.918 -5.519 4.830 1.00 0.00 C ATOM 171 CG LEU A 13 -5.616 -5.873 4.110 1.00 0.00 C ATOM 172 CD1 LEU A 13 -4.822 -6.872 4.953 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.941 -6.498 2.751 1.00 0.00 C ATOM 0 H LEU A 13 -8.882 -4.535 5.764 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.059 -3.983 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.093 -6.215 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.761 -5.613 4.146 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.024 -4.970 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.894 -7.124 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.592 -6.429 5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.413 -7.776 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.014 -6.751 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.533 -7.401 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.508 -5.787 2.150 1.00 0.00 H new ATOM 185 N GLU A 14 -7.432 -2.808 3.392 1.00 0.00 N ATOM 186 CA GLU A 14 -7.153 -1.865 2.272 1.00 0.00 C ATOM 187 C GLU A 14 -6.714 -0.504 2.822 1.00 0.00 C ATOM 188 O GLU A 14 -5.748 0.077 2.368 1.00 0.00 O ATOM 189 CB GLU A 14 -8.481 -1.738 1.525 1.00 0.00 C ATOM 190 CG GLU A 14 -8.249 -1.042 0.183 1.00 0.00 C ATOM 191 CD GLU A 14 -9.598 -0.676 -0.443 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.229 -1.559 -0.998 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.973 0.481 -0.355 1.00 0.00 O ATOM 0 H GLU A 14 -8.385 -3.170 3.429 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.351 -2.218 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.915 -2.725 1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.193 -1.170 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.647 -0.145 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.691 -1.697 -0.487 1.00 0.00 H new ATOM 200 N ALA A 15 -7.413 0.005 3.799 1.00 0.00 N ATOM 201 CA ALA A 15 -7.031 1.324 4.378 1.00 0.00 C ATOM 202 C ALA A 15 -5.755 1.180 5.210 1.00 0.00 C ATOM 203 O ALA A 15 -4.889 2.033 5.191 1.00 0.00 O ATOM 204 CB ALA A 15 -8.210 1.726 5.264 1.00 0.00 C ATOM 0 H ALA A 15 -8.231 -0.435 4.221 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.829 2.072 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.004 2.691 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.112 1.800 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.355 0.974 6.040 1.00 0.00 H new ATOM 210 N LYS A 16 -5.629 0.102 5.935 1.00 0.00 N ATOM 211 CA LYS A 16 -4.408 -0.101 6.763 1.00 0.00 C ATOM 212 C LYS A 16 -3.162 -0.072 5.874 1.00 0.00 C ATOM 213 O LYS A 16 -2.139 0.476 6.236 1.00 0.00 O ATOM 214 CB LYS A 16 -4.583 -1.481 7.397 1.00 0.00 C ATOM 215 CG LYS A 16 -3.263 -1.923 8.033 1.00 0.00 C ATOM 216 CD LYS A 16 -2.731 -0.807 8.934 1.00 0.00 C ATOM 217 CE LYS A 16 -2.032 -1.419 10.149 1.00 0.00 C ATOM 218 NZ LYS A 16 -0.724 -1.910 9.633 1.00 0.00 N ATOM 0 H LYS A 16 -6.320 -0.647 5.989 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.282 0.678 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.369 -1.449 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.895 -2.203 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.414 -2.833 8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.534 -2.157 7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.034 -0.179 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.550 -0.165 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.893 -0.680 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.619 -2.233 10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.501 -2.828 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.778 -2.021 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.022 -1.225 9.869 1.00 0.00 H new ATOM 232 N ILE A 17 -3.241 -0.659 4.710 1.00 0.00 N ATOM 233 CA ILE A 17 -2.063 -0.666 3.796 1.00 0.00 C ATOM 234 C ILE A 17 -1.687 0.767 3.412 1.00 0.00 C ATOM 235 O ILE A 17 -0.531 1.140 3.425 1.00 0.00 O ATOM 236 CB ILE A 17 -2.523 -1.450 2.567 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.535 -2.945 2.894 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.563 -1.191 1.405 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.013 -3.730 1.671 1.00 0.00 C ATOM 0 H ILE A 17 -4.070 -1.134 4.353 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.182 -1.112 4.257 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.526 -1.129 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.536 -3.273 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.192 -3.137 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.892 -1.751 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.552 -0.126 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.559 -1.511 1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.022 -4.795 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.019 -3.409 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.339 -3.546 0.835 1.00 0.00 H new ATOM 251 N CYS A 18 -2.655 1.575 3.075 1.00 0.00 N ATOM 252 CA CYS A 18 -2.347 2.984 2.697 1.00 0.00 C ATOM 253 C CYS A 18 -1.748 3.727 3.893 1.00 0.00 C ATOM 254 O CYS A 18 -0.817 4.495 3.759 1.00 0.00 O ATOM 255 CB CYS A 18 -3.695 3.592 2.306 1.00 0.00 C ATOM 256 SG CYS A 18 -3.510 4.538 0.775 1.00 0.00 S ATOM 0 H CYS A 18 -3.643 1.322 3.045 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.622 3.048 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.436 2.804 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.059 4.239 3.104 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.656 5.053 0.442 1.00 0.00 H new ATOM 262 N HIS A 19 -2.275 3.497 5.065 1.00 0.00 N ATOM 263 CA HIS A 19 -1.737 4.180 6.276 1.00 0.00 C ATOM 264 C HIS A 19 -0.270 3.803 6.486 1.00 0.00 C ATOM 265 O HIS A 19 0.531 4.609 6.912 1.00 0.00 O ATOM 266 CB HIS A 19 -2.597 3.677 7.434 1.00 0.00 C ATOM 267 CG HIS A 19 -2.966 4.833 8.324 1.00 0.00 C ATOM 268 ND1 HIS A 19 -3.866 4.702 9.371 1.00 0.00 N ATOM 269 CD2 HIS A 19 -2.564 6.145 8.336 1.00 0.00 C ATOM 270 CE1 HIS A 19 -3.975 5.906 9.963 1.00 0.00 C ATOM 271 NE2 HIS A 19 -3.203 6.821 9.372 1.00 0.00 N ATOM 0 H HIS A 19 -3.056 2.864 5.236 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.774 5.266 6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.498 3.197 7.051 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.053 2.924 8.005 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.859 6.586 7.647 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.610 6.107 10.813 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.103 7.804 9.625 1.00 0.00 H new ATOM 279 N GLN A 20 0.091 2.583 6.192 1.00 0.00 N ATOM 280 CA GLN A 20 1.510 2.173 6.381 1.00 0.00 C ATOM 281 C GLN A 20 2.401 3.009 5.463 1.00 0.00 C ATOM 282 O GLN A 20 3.389 3.579 5.890 1.00 0.00 O ATOM 283 CB GLN A 20 1.557 0.698 5.981 1.00 0.00 C ATOM 284 CG GLN A 20 0.940 -0.154 7.093 1.00 0.00 C ATOM 285 CD GLN A 20 1.655 0.138 8.414 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.204 1.084 9.190 1.00 0.00 O flip ATOM 287 NE2 GLN A 20 2.632 -0.503 8.742 1.00 0.00 N flip ATOM 0 H GLN A 20 -0.530 1.859 5.832 1.00 0.00 H new ATOM 0 HA GLN A 20 1.860 2.320 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.014 0.546 5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.588 0.391 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.124 0.065 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.027 -1.212 6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.984 -1.243 8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.101 -0.302 9.625 1.00 0.00 H new ATOM 296 N ILE A 21 2.044 3.119 4.212 1.00 0.00 N ATOM 297 CA ILE A 21 2.863 3.947 3.288 1.00 0.00 C ATOM 298 C ILE A 21 2.933 5.365 3.846 1.00 0.00 C ATOM 299 O ILE A 21 3.939 6.039 3.753 1.00 0.00 O ATOM 300 CB ILE A 21 2.115 3.925 1.956 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.021 2.485 1.446 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.871 4.778 0.938 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.415 1.989 1.054 1.00 0.00 C ATOM 0 H ILE A 21 1.227 2.674 3.794 1.00 0.00 H new ATOM 0 HA ILE A 21 3.882 3.580 3.170 1.00 0.00 H new ATOM 0 HB ILE A 21 1.111 4.326 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.598 1.842 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.351 2.435 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.340 4.765 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.939 5.803 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.874 4.375 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.348 0.963 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.820 2.626 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.071 2.024 1.924 1.00 0.00 H new ATOM 315 N GLU A 22 1.865 5.807 4.448 1.00 0.00 N ATOM 316 CA GLU A 22 1.846 7.167 5.047 1.00 0.00 C ATOM 317 C GLU A 22 2.913 7.268 6.141 1.00 0.00 C ATOM 318 O GLU A 22 3.509 8.302 6.348 1.00 0.00 O ATOM 319 CB GLU A 22 0.447 7.317 5.647 1.00 0.00 C ATOM 320 CG GLU A 22 0.242 8.760 6.110 1.00 0.00 C ATOM 321 CD GLU A 22 -1.126 9.259 5.640 1.00 0.00 C ATOM 322 OE1 GLU A 22 -2.113 8.622 5.971 1.00 0.00 O ATOM 323 OE2 GLU A 22 -1.164 10.268 4.956 1.00 0.00 O ATOM 0 H GLU A 22 0.998 5.279 4.551 1.00 0.00 H new ATOM 0 HA GLU A 22 2.059 7.947 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.308 7.051 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.325 6.634 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.308 8.817 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.030 9.397 5.709 1.00 0.00 H new ATOM 330 N TYR A 23 3.144 6.201 6.857 1.00 0.00 N ATOM 331 CA TYR A 23 4.160 6.243 7.948 1.00 0.00 C ATOM 332 C TYR A 23 5.558 6.562 7.393 1.00 0.00 C ATOM 333 O TYR A 23 6.275 7.370 7.949 1.00 0.00 O ATOM 334 CB TYR A 23 4.126 4.843 8.569 1.00 0.00 C ATOM 335 CG TYR A 23 5.455 4.540 9.220 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.994 5.427 10.160 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.147 3.374 8.880 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.228 5.144 10.760 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.380 3.091 9.479 1.00 0.00 C ATOM 340 CZ TYR A 23 7.921 3.976 10.419 1.00 0.00 C ATOM 341 OH TYR A 23 9.136 3.698 11.009 1.00 0.00 O ATOM 0 H TYR A 23 2.674 5.304 6.734 1.00 0.00 H new ATOM 0 HA TYR A 23 3.942 7.023 8.677 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.327 4.782 9.307 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.909 4.100 7.802 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.459 6.328 10.422 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.730 2.691 8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.645 5.827 11.486 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.914 2.190 9.216 1.00 0.00 H new ATOM 0 HH TYR A 23 9.482 2.849 10.662 1.00 0.00 H new ATOM 351 N TYR A 24 5.961 5.944 6.310 1.00 0.00 N ATOM 352 CA TYR A 24 7.325 6.250 5.766 1.00 0.00 C ATOM 353 C TYR A 24 7.321 7.580 5.010 1.00 0.00 C ATOM 354 O TYR A 24 8.260 8.347 5.079 1.00 0.00 O ATOM 355 CB TYR A 24 7.695 5.126 4.789 1.00 0.00 C ATOM 356 CG TYR A 24 6.966 3.854 5.123 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.481 2.977 6.085 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.785 3.544 4.452 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.805 1.787 6.374 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.108 2.359 4.740 1.00 0.00 C ATOM 361 CZ TYR A 24 5.616 1.477 5.702 1.00 0.00 C ATOM 362 OH TYR A 24 4.947 0.304 5.985 1.00 0.00 O ATOM 0 H TYR A 24 5.420 5.255 5.787 1.00 0.00 H new ATOM 0 HA TYR A 24 8.040 6.322 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.452 5.431 3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.770 4.951 4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.398 3.219 6.603 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.393 4.222 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.200 1.108 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.191 2.121 4.221 1.00 0.00 H new ATOM 0 HH TYR A 24 4.476 0.394 6.840 1.00 0.00 H new ATOM 372 N PHE A 25 6.287 7.845 4.260 1.00 0.00 N ATOM 373 CA PHE A 25 6.256 9.114 3.472 1.00 0.00 C ATOM 374 C PHE A 25 5.427 10.197 4.171 1.00 0.00 C ATOM 375 O PHE A 25 5.574 11.366 3.887 1.00 0.00 O ATOM 376 CB PHE A 25 5.610 8.728 2.141 1.00 0.00 C ATOM 377 CG PHE A 25 6.482 7.716 1.437 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.742 8.090 0.956 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.029 6.402 1.266 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.549 7.152 0.304 1.00 0.00 C ATOM 381 CE2 PHE A 25 6.837 5.463 0.614 1.00 0.00 C ATOM 382 CZ PHE A 25 8.097 5.838 0.132 1.00 0.00 C ATOM 0 H PHE A 25 5.468 7.245 4.158 1.00 0.00 H new ATOM 0 HA PHE A 25 7.255 9.533 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.617 8.312 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.482 9.612 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.091 9.103 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.057 6.113 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.521 7.441 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.488 4.449 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.720 5.114 -0.372 1.00 0.00 H new ATOM 392 N GLY A 26 4.535 9.821 5.043 1.00 0.00 N ATOM 393 CA GLY A 26 3.667 10.828 5.736 1.00 0.00 C ATOM 394 C GLY A 26 4.495 11.975 6.337 1.00 0.00 C ATOM 395 O GLY A 26 4.261 12.397 7.452 1.00 0.00 O ATOM 0 H GLY A 26 4.364 8.852 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.944 11.233 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.099 10.337 6.526 1.00 0.00 H new ATOM 399 N ASP A 27 5.440 12.498 5.604 1.00 0.00 N ATOM 400 CA ASP A 27 6.265 13.635 6.114 1.00 0.00 C ATOM 401 C ASP A 27 6.999 13.288 7.419 1.00 0.00 C ATOM 402 O ASP A 27 7.947 13.950 7.786 1.00 0.00 O ATOM 403 CB ASP A 27 5.261 14.763 6.357 1.00 0.00 C ATOM 404 CG ASP A 27 5.924 15.870 7.181 1.00 0.00 C ATOM 405 OD1 ASP A 27 7.131 16.011 7.083 1.00 0.00 O ATOM 406 OD2 ASP A 27 5.213 16.555 7.897 1.00 0.00 O ATOM 0 H ASP A 27 5.679 12.184 4.664 1.00 0.00 H new ATOM 0 HA ASP A 27 7.046 13.901 5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.911 15.164 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.387 14.379 6.882 1.00 0.00 H new ATOM 411 N PHE A 28 6.580 12.278 8.133 1.00 0.00 N ATOM 412 CA PHE A 28 7.278 11.945 9.408 1.00 0.00 C ATOM 413 C PHE A 28 8.559 11.155 9.141 1.00 0.00 C ATOM 414 O PHE A 28 9.607 11.448 9.682 1.00 0.00 O ATOM 415 CB PHE A 28 6.280 11.093 10.194 1.00 0.00 C ATOM 416 CG PHE A 28 6.970 10.488 11.392 1.00 0.00 C ATOM 417 CD1 PHE A 28 7.593 11.317 12.334 1.00 0.00 C ATOM 418 CD2 PHE A 28 6.989 9.099 11.563 1.00 0.00 C ATOM 419 CE1 PHE A 28 8.233 10.755 13.446 1.00 0.00 C ATOM 420 CE2 PHE A 28 7.629 8.537 12.674 1.00 0.00 C ATOM 421 CZ PHE A 28 8.251 9.366 13.615 1.00 0.00 C ATOM 0 H PHE A 28 5.793 11.675 7.892 1.00 0.00 H new ATOM 0 HA PHE A 28 7.576 12.842 9.952 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.438 11.705 10.517 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.877 10.306 9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.580 12.389 12.203 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.509 8.460 10.837 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.713 11.394 14.173 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.643 7.465 12.805 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.745 8.933 14.472 1.00 0.00 H new ATOM 431 N ASN A 29 8.477 10.137 8.335 1.00 0.00 N ATOM 432 CA ASN A 29 9.679 9.300 8.048 1.00 0.00 C ATOM 433 C ASN A 29 10.632 9.969 7.046 1.00 0.00 C ATOM 434 O ASN A 29 11.828 9.785 7.108 1.00 0.00 O ATOM 435 CB ASN A 29 9.117 8.008 7.463 1.00 0.00 C ATOM 436 CG ASN A 29 9.231 6.885 8.495 1.00 0.00 C ATOM 437 OD1 ASN A 29 8.327 6.086 8.642 1.00 0.00 O ATOM 438 ND2 ASN A 29 10.311 6.787 9.220 1.00 0.00 N ATOM 0 H ASN A 29 7.624 9.844 7.858 1.00 0.00 H new ATOM 0 HA ASN A 29 10.270 9.140 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.074 8.149 7.178 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.661 7.740 6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.396 6.040 9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.070 7.457 9.097 1.00 0.00 H new ATOM 445 N LEU A 30 10.117 10.708 6.101 1.00 0.00 N ATOM 446 CA LEU A 30 11.009 11.338 5.074 1.00 0.00 C ATOM 447 C LEU A 30 12.078 12.237 5.712 1.00 0.00 C ATOM 448 O LEU A 30 13.208 12.253 5.265 1.00 0.00 O ATOM 449 CB LEU A 30 10.075 12.168 4.194 1.00 0.00 C ATOM 450 CG LEU A 30 9.054 11.250 3.521 1.00 0.00 C ATOM 451 CD1 LEU A 30 7.860 12.080 3.048 1.00 0.00 C ATOM 452 CD2 LEU A 30 9.705 10.562 2.319 1.00 0.00 C ATOM 0 H LEU A 30 9.122 10.905 5.992 1.00 0.00 H new ATOM 0 HA LEU A 30 11.555 10.580 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.563 12.918 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.651 12.704 3.439 1.00 0.00 H new ATOM 0 HG LEU A 30 8.715 10.497 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.131 11.428 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.398 12.573 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.199 12.832 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.979 9.907 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.042 11.315 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.558 9.973 2.655 1.00 0.00 H new ATOM 464 N PRO A 31 11.696 12.964 6.723 1.00 0.00 N ATOM 465 CA PRO A 31 12.653 13.875 7.402 1.00 0.00 C ATOM 466 C PRO A 31 13.858 13.102 7.954 1.00 0.00 C ATOM 467 O PRO A 31 14.860 13.688 8.318 1.00 0.00 O ATOM 468 CB PRO A 31 11.843 14.487 8.545 1.00 0.00 C ATOM 469 CG PRO A 31 10.408 14.224 8.215 1.00 0.00 C ATOM 470 CD PRO A 31 10.363 13.014 7.320 1.00 0.00 C ATOM 0 HA PRO A 31 13.059 14.624 6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.113 14.037 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.035 15.557 8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.831 14.050 9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.965 15.086 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.145 12.108 7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.588 13.109 6.559 1.00 0.00 H new ATOM 478 N ARG A 32 13.778 11.801 8.032 1.00 0.00 N ATOM 479 CA ARG A 32 14.937 11.025 8.576 1.00 0.00 C ATOM 480 C ARG A 32 15.027 9.630 7.941 1.00 0.00 C ATOM 481 O ARG A 32 15.919 8.864 8.246 1.00 0.00 O ATOM 482 CB ARG A 32 14.663 10.908 10.076 1.00 0.00 C ATOM 483 CG ARG A 32 14.163 12.249 10.616 1.00 0.00 C ATOM 484 CD ARG A 32 13.908 12.129 12.120 1.00 0.00 C ATOM 485 NE ARG A 32 12.928 11.017 12.255 1.00 0.00 N ATOM 486 CZ ARG A 32 11.684 11.195 11.898 1.00 0.00 C ATOM 487 NH1 ARG A 32 11.298 12.349 11.426 1.00 0.00 N ATOM 488 NH2 ARG A 32 10.827 10.217 12.014 1.00 0.00 N ATOM 0 H ARG A 32 12.972 11.245 7.747 1.00 0.00 H new ATOM 0 HA ARG A 32 15.884 11.519 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.921 10.131 10.260 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.572 10.611 10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.899 13.029 10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.247 12.541 10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.829 11.912 12.661 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.510 13.058 12.529 1.00 0.00 H new ATOM 0 HE ARG A 32 13.228 10.116 12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.968 13.113 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.326 12.487 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.129 9.315 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.855 10.355 11.736 1.00 0.00 H new ATOM 502 N ASP A 33 14.098 9.277 7.098 1.00 0.00 N ATOM 503 CA ASP A 33 14.124 7.914 6.490 1.00 0.00 C ATOM 504 C ASP A 33 15.409 7.685 5.690 1.00 0.00 C ATOM 505 O ASP A 33 15.529 8.090 4.550 1.00 0.00 O ATOM 506 CB ASP A 33 12.914 7.877 5.559 1.00 0.00 C ATOM 507 CG ASP A 33 11.822 7.001 6.174 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.868 6.789 7.375 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.960 6.557 5.435 1.00 0.00 O ATOM 0 H ASP A 33 13.323 9.870 6.803 1.00 0.00 H new ATOM 0 HA ASP A 33 14.093 7.136 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.536 8.886 5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.204 7.484 4.584 1.00 0.00 H new ATOM 514 N LYS A 34 16.362 7.014 6.281 1.00 0.00 N ATOM 515 CA LYS A 34 17.637 6.730 5.560 1.00 0.00 C ATOM 516 C LYS A 34 17.384 5.640 4.525 1.00 0.00 C ATOM 517 O LYS A 34 17.799 5.728 3.387 1.00 0.00 O ATOM 518 CB LYS A 34 18.623 6.230 6.621 1.00 0.00 C ATOM 519 CG LYS A 34 18.413 6.984 7.935 1.00 0.00 C ATOM 520 CD LYS A 34 19.109 8.346 7.865 1.00 0.00 C ATOM 521 CE LYS A 34 18.195 9.360 7.175 1.00 0.00 C ATOM 522 NZ LYS A 34 19.059 10.033 6.167 1.00 0.00 N ATOM 0 H LYS A 34 16.312 6.650 7.233 1.00 0.00 H new ATOM 0 HA LYS A 34 18.027 7.609 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.485 5.161 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.646 6.371 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.348 7.118 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.812 6.403 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.357 8.690 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 34 20.048 8.257 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.346 8.868 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.790 10.077 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.502 10.744 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.855 10.499 6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.424 9.327 5.496 1.00 0.00 H new ATOM 536 N PHE A 35 16.691 4.613 4.924 1.00 0.00 N ATOM 537 CA PHE A 35 16.385 3.501 3.977 1.00 0.00 C ATOM 538 C PHE A 35 15.547 4.037 2.814 1.00 0.00 C ATOM 539 O PHE A 35 15.731 3.662 1.674 1.00 0.00 O ATOM 540 CB PHE A 35 15.589 2.483 4.794 1.00 0.00 C ATOM 541 CG PHE A 35 14.271 3.088 5.214 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.148 2.965 4.385 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.168 3.768 6.434 1.00 0.00 C ATOM 544 CE1 PHE A 35 11.925 3.524 4.776 1.00 0.00 C ATOM 545 CE2 PHE A 35 12.946 4.326 6.824 1.00 0.00 C ATOM 546 CZ PHE A 35 11.824 4.203 5.995 1.00 0.00 C ATOM 0 H PHE A 35 16.321 4.493 5.867 1.00 0.00 H new ATOM 0 HA PHE A 35 17.283 3.054 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.416 1.584 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.159 2.182 5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.226 2.439 3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.033 3.862 7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.060 3.431 4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.868 4.852 7.764 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.880 4.633 6.297 1.00 0.00 H new ATOM 556 N LEU A 36 14.637 4.924 3.096 1.00 0.00 N ATOM 557 CA LEU A 36 13.800 5.504 2.010 1.00 0.00 C ATOM 558 C LEU A 36 14.625 6.524 1.222 1.00 0.00 C ATOM 559 O LEU A 36 14.488 6.665 0.023 1.00 0.00 O ATOM 560 CB LEU A 36 12.637 6.190 2.724 1.00 0.00 C ATOM 561 CG LEU A 36 11.356 5.987 1.918 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.631 6.258 0.436 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.866 4.547 2.091 1.00 0.00 C ATOM 0 H LEU A 36 14.436 5.274 4.033 1.00 0.00 H new ATOM 0 HA LEU A 36 13.448 4.752 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.518 5.779 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.843 7.254 2.838 1.00 0.00 H new ATOM 0 HG LEU A 36 10.592 6.677 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.715 6.112 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.977 7.284 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.397 5.571 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.952 4.402 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.631 3.857 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.666 4.355 3.145 1.00 0.00 H new ATOM 575 N LYS A 37 15.485 7.234 1.901 1.00 0.00 N ATOM 576 CA LYS A 37 16.335 8.252 1.216 1.00 0.00 C ATOM 577 C LYS A 37 17.301 7.572 0.239 1.00 0.00 C ATOM 578 O LYS A 37 17.619 8.106 -0.804 1.00 0.00 O ATOM 579 CB LYS A 37 17.109 8.941 2.340 1.00 0.00 C ATOM 580 CG LYS A 37 16.276 10.095 2.902 1.00 0.00 C ATOM 581 CD LYS A 37 16.131 11.185 1.838 1.00 0.00 C ATOM 582 CE LYS A 37 16.966 12.404 2.238 1.00 0.00 C ATOM 583 NZ LYS A 37 16.059 13.232 3.080 1.00 0.00 N ATOM 0 H LYS A 37 15.637 7.153 2.906 1.00 0.00 H new ATOM 0 HA LYS A 37 15.742 8.958 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.338 8.225 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.061 9.315 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.293 9.734 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.754 10.503 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.459 10.808 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.084 11.467 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.857 12.108 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.304 12.956 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.561 14.087 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.223 13.505 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.759 12.683 3.911 1.00 0.00 H new ATOM 597 N GLU A 38 17.763 6.394 0.562 1.00 0.00 N ATOM 598 CA GLU A 38 18.695 5.691 -0.368 1.00 0.00 C ATOM 599 C GLU A 38 17.926 5.214 -1.603 1.00 0.00 C ATOM 600 O GLU A 38 18.374 5.364 -2.721 1.00 0.00 O ATOM 601 CB GLU A 38 19.271 4.508 0.420 1.00 0.00 C ATOM 602 CG GLU A 38 18.145 3.691 1.051 1.00 0.00 C ATOM 603 CD GLU A 38 18.724 2.419 1.673 1.00 0.00 C ATOM 604 OE1 GLU A 38 19.922 2.389 1.903 1.00 0.00 O ATOM 605 OE2 GLU A 38 17.960 1.497 1.908 1.00 0.00 O ATOM 0 H GLU A 38 17.539 5.891 1.421 1.00 0.00 H new ATOM 0 HA GLU A 38 19.495 6.343 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.862 3.875 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.944 4.873 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.636 4.282 1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.401 3.434 0.297 1.00 0.00 H new ATOM 612 N GLN A 39 16.759 4.658 -1.410 1.00 0.00 N ATOM 613 CA GLN A 39 15.951 4.192 -2.574 1.00 0.00 C ATOM 614 C GLN A 39 15.399 5.403 -3.329 1.00 0.00 C ATOM 615 O GLN A 39 15.498 5.499 -4.536 1.00 0.00 O ATOM 616 CB GLN A 39 14.814 3.368 -1.969 1.00 0.00 C ATOM 617 CG GLN A 39 14.794 1.978 -2.607 1.00 0.00 C ATOM 618 CD GLN A 39 15.043 0.919 -1.533 1.00 0.00 C ATOM 619 OE1 GLN A 39 14.507 1.064 -0.353 1.00 0.00 O flip ATOM 620 NE2 GLN A 39 15.733 -0.053 -1.770 1.00 0.00 N flip ATOM 0 H GLN A 39 16.331 4.507 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 39 16.535 3.605 -3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.947 3.283 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.860 3.869 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.833 1.802 -3.090 1.00 0.00 H new ATOM 0 HG3 GLN A 39 15.557 1.911 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.153 -0.168 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.892 -0.754 -1.046 1.00 0.00 H new ATOM 629 N ILE A 40 14.826 6.330 -2.615 1.00 0.00 N ATOM 630 CA ILE A 40 14.273 7.547 -3.273 1.00 0.00 C ATOM 631 C ILE A 40 15.388 8.266 -4.038 1.00 0.00 C ATOM 632 O ILE A 40 15.182 8.794 -5.113 1.00 0.00 O ATOM 633 CB ILE A 40 13.743 8.417 -2.132 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.726 9.419 -2.683 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.900 9.174 -1.480 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.912 10.009 -1.529 1.00 0.00 C ATOM 0 H ILE A 40 14.716 6.298 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 40 13.487 7.316 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 40 13.263 7.781 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.240 10.214 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.063 8.926 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.518 9.793 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.624 8.462 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.384 9.808 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.188 10.723 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.387 9.209 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.581 10.517 -0.834 1.00 0.00 H new ATOM 648 N LYS A 41 16.573 8.285 -3.490 1.00 0.00 N ATOM 649 CA LYS A 41 17.707 8.964 -4.180 1.00 0.00 C ATOM 650 C LYS A 41 18.193 8.120 -5.362 1.00 0.00 C ATOM 651 O LYS A 41 18.737 8.633 -6.320 1.00 0.00 O ATOM 652 CB LYS A 41 18.803 9.082 -3.120 1.00 0.00 C ATOM 653 CG LYS A 41 18.535 10.306 -2.242 1.00 0.00 C ATOM 654 CD LYS A 41 19.632 11.348 -2.471 1.00 0.00 C ATOM 655 CE LYS A 41 19.055 12.751 -2.271 1.00 0.00 C ATOM 656 NZ LYS A 41 19.324 13.077 -0.843 1.00 0.00 N ATOM 0 H LYS A 41 16.805 7.859 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 41 17.421 9.936 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.830 8.181 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.778 9.171 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.560 10.731 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.509 10.015 -1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.457 11.181 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.036 11.250 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.530 13.472 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.987 12.773 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.957 14.026 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.854 12.378 -0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.349 13.055 -0.669 1.00 0.00 H new ATOM 670 N LEU A 42 17.999 6.829 -5.307 1.00 0.00 N ATOM 671 CA LEU A 42 18.450 5.964 -6.436 1.00 0.00 C ATOM 672 C LEU A 42 18.036 6.596 -7.767 1.00 0.00 C ATOM 673 O LEU A 42 18.836 7.200 -8.453 1.00 0.00 O ATOM 674 CB LEU A 42 17.737 4.627 -6.225 1.00 0.00 C ATOM 675 CG LEU A 42 18.754 3.487 -6.315 1.00 0.00 C ATOM 676 CD1 LEU A 42 19.229 3.113 -4.910 1.00 0.00 C ATOM 677 CD2 LEU A 42 18.096 2.270 -6.970 1.00 0.00 C ATOM 0 H LEU A 42 17.550 6.338 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 42 19.533 5.840 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.246 4.614 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.959 4.495 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 42 19.607 3.808 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.953 2.301 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.696 3.979 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.377 2.792 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.819 1.457 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.243 1.951 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.757 2.535 -7.971 1.00 0.00 H new ATOM 689 N ASP A 43 16.789 6.475 -8.129 1.00 0.00 N ATOM 690 CA ASP A 43 16.322 7.084 -9.406 1.00 0.00 C ATOM 691 C ASP A 43 15.858 8.519 -9.142 1.00 0.00 C ATOM 692 O ASP A 43 16.637 9.366 -8.752 1.00 0.00 O ATOM 693 CB ASP A 43 15.155 6.207 -9.863 1.00 0.00 C ATOM 694 CG ASP A 43 14.726 6.619 -11.272 1.00 0.00 C ATOM 695 OD1 ASP A 43 15.533 6.487 -12.178 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.598 7.059 -11.422 1.00 0.00 O ATOM 0 H ASP A 43 16.073 5.981 -7.596 1.00 0.00 H new ATOM 0 HA ASP A 43 17.103 7.131 -10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.450 5.158 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.318 6.309 -9.172 1.00 0.00 H new ATOM 701 N GLU A 44 14.598 8.802 -9.332 1.00 0.00 N ATOM 702 CA GLU A 44 14.101 10.182 -9.072 1.00 0.00 C ATOM 703 C GLU A 44 13.210 10.180 -7.828 1.00 0.00 C ATOM 704 O GLU A 44 12.403 11.064 -7.626 1.00 0.00 O ATOM 705 CB GLU A 44 13.290 10.556 -10.314 1.00 0.00 C ATOM 706 CG GLU A 44 14.100 10.228 -11.570 1.00 0.00 C ATOM 707 CD GLU A 44 15.283 11.191 -11.683 1.00 0.00 C ATOM 708 OE1 GLU A 44 15.549 11.886 -10.716 1.00 0.00 O ATOM 709 OE2 GLU A 44 15.903 11.217 -12.733 1.00 0.00 O ATOM 0 H GLU A 44 13.893 8.139 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 44 14.909 10.891 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.347 10.010 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.043 11.618 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.458 9.199 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.467 10.308 -12.454 1.00 0.00 H new ATOM 716 N GLY A 45 13.350 9.185 -6.993 1.00 0.00 N ATOM 717 CA GLY A 45 12.512 9.114 -5.763 1.00 0.00 C ATOM 718 C GLY A 45 11.499 7.977 -5.905 1.00 0.00 C ATOM 719 O GLY A 45 10.905 7.537 -4.941 1.00 0.00 O ATOM 0 H GLY A 45 14.011 8.417 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.142 8.948 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.994 10.060 -5.607 1.00 0.00 H new ATOM 723 N TRP A 46 11.291 7.507 -7.103 1.00 0.00 N ATOM 724 CA TRP A 46 10.308 6.406 -7.318 1.00 0.00 C ATOM 725 C TRP A 46 10.733 5.132 -6.579 1.00 0.00 C ATOM 726 O TRP A 46 11.733 4.520 -6.895 1.00 0.00 O ATOM 727 CB TRP A 46 10.308 6.166 -8.827 1.00 0.00 C ATOM 728 CG TRP A 46 9.642 7.312 -9.520 1.00 0.00 C ATOM 729 CD1 TRP A 46 10.231 8.112 -10.438 1.00 0.00 C ATOM 730 CD2 TRP A 46 8.276 7.798 -9.370 1.00 0.00 C ATOM 731 NE1 TRP A 46 9.315 9.057 -10.862 1.00 0.00 N ATOM 732 CE2 TRP A 46 8.096 8.906 -10.234 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.186 7.392 -8.578 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.878 9.584 -10.308 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.960 8.072 -8.651 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.806 9.166 -9.515 1.00 0.00 C ATOM 0 H TRP A 46 11.760 7.838 -7.946 1.00 0.00 H new ATOM 0 HA TRP A 46 9.321 6.669 -6.937 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.331 6.055 -9.187 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.787 5.237 -9.057 1.00 0.00 H new ATOM 0 HD1 TRP A 46 11.251 8.027 -10.784 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.516 9.778 -11.555 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.293 6.551 -7.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.765 10.427 -10.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.131 7.751 -8.038 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.860 9.685 -9.567 1.00 0.00 H new ATOM 747 N VAL A 47 9.961 4.723 -5.609 1.00 0.00 N ATOM 748 CA VAL A 47 10.294 3.477 -4.859 1.00 0.00 C ATOM 749 C VAL A 47 9.310 2.371 -5.255 1.00 0.00 C ATOM 750 O VAL A 47 8.141 2.630 -5.459 1.00 0.00 O ATOM 751 CB VAL A 47 10.144 3.838 -3.381 1.00 0.00 C ATOM 752 CG1 VAL A 47 8.813 4.552 -3.161 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.181 2.559 -2.540 1.00 0.00 C ATOM 0 H VAL A 47 9.112 5.199 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 47 11.299 3.113 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 47 10.961 4.496 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.708 4.809 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.785 5.462 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.995 3.896 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.074 2.814 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.364 1.903 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.131 2.049 -2.696 1.00 0.00 H new ATOM 763 N PRO A 48 9.818 1.173 -5.372 1.00 0.00 N ATOM 764 CA PRO A 48 8.988 0.025 -5.770 1.00 0.00 C ATOM 765 C PRO A 48 8.374 -0.654 -4.546 1.00 0.00 C ATOM 766 O PRO A 48 8.931 -0.641 -3.466 1.00 0.00 O ATOM 767 CB PRO A 48 9.980 -0.916 -6.440 1.00 0.00 C ATOM 768 CG PRO A 48 11.350 -0.448 -6.036 1.00 0.00 C ATOM 769 CD PRO A 48 11.196 0.763 -5.152 1.00 0.00 C ATOM 0 HA PRO A 48 8.157 0.313 -6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.813 -1.946 -6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.866 -0.893 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.881 -1.239 -5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.942 -0.202 -6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.380 0.521 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.898 1.551 -5.426 1.00 0.00 H new ATOM 777 N LEU A 49 7.221 -1.233 -4.710 1.00 0.00 N ATOM 778 CA LEU A 49 6.557 -1.903 -3.555 1.00 0.00 C ATOM 779 C LEU A 49 7.370 -3.112 -3.080 1.00 0.00 C ATOM 780 O LEU A 49 7.019 -3.754 -2.113 1.00 0.00 O ATOM 781 CB LEU A 49 5.202 -2.373 -4.088 1.00 0.00 C ATOM 782 CG LEU A 49 4.366 -1.171 -4.525 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.056 -1.665 -5.143 1.00 0.00 C ATOM 784 CD2 LEU A 49 4.058 -0.297 -3.308 1.00 0.00 C ATOM 0 H LEU A 49 6.708 -1.273 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 49 6.463 -1.227 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.348 -3.050 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.673 -2.933 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 49 4.920 -0.587 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.456 -0.810 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.275 -2.291 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.502 -2.246 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.462 0.561 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.502 -0.879 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.991 0.051 -2.864 1.00 0.00 H new ATOM 796 N GLU A 50 8.466 -3.415 -3.723 1.00 0.00 N ATOM 797 CA GLU A 50 9.275 -4.576 -3.248 1.00 0.00 C ATOM 798 C GLU A 50 9.907 -4.202 -1.913 1.00 0.00 C ATOM 799 O GLU A 50 10.055 -5.015 -1.023 1.00 0.00 O ATOM 800 CB GLU A 50 10.347 -4.850 -4.309 1.00 0.00 C ATOM 801 CG GLU A 50 10.988 -3.551 -4.795 1.00 0.00 C ATOM 802 CD GLU A 50 11.054 -3.565 -6.324 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.087 -3.990 -6.935 1.00 0.00 O ATOM 804 OE2 GLU A 50 12.070 -3.152 -6.858 1.00 0.00 O ATOM 0 H GLU A 50 8.831 -2.922 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 50 8.669 -5.471 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.114 -5.504 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.901 -5.377 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.408 -2.694 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.989 -3.446 -4.377 1.00 0.00 H new ATOM 811 N ILE A 51 10.255 -2.957 -1.769 1.00 0.00 N ATOM 812 CA ILE A 51 10.855 -2.480 -0.493 1.00 0.00 C ATOM 813 C ILE A 51 9.759 -2.347 0.569 1.00 0.00 C ATOM 814 O ILE A 51 9.962 -2.638 1.730 1.00 0.00 O ATOM 815 CB ILE A 51 11.431 -1.099 -0.826 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.767 -1.243 -1.561 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.653 -0.315 0.465 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.710 -2.436 -2.508 1.00 0.00 C ATOM 0 H ILE A 51 10.149 -2.241 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 51 11.613 -3.161 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 51 10.726 -0.570 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.985 -0.333 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 51 13.575 -1.376 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.063 0.667 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.703 -0.196 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.352 -0.855 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.663 -2.534 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.513 -3.344 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.913 -2.285 -3.236 1.00 0.00 H new ATOM 830 N MET A 52 8.593 -1.911 0.170 1.00 0.00 N ATOM 831 CA MET A 52 7.476 -1.760 1.147 1.00 0.00 C ATOM 832 C MET A 52 6.831 -3.117 1.457 1.00 0.00 C ATOM 833 O MET A 52 6.540 -3.430 2.595 1.00 0.00 O ATOM 834 CB MET A 52 6.472 -0.835 0.458 1.00 0.00 C ATOM 835 CG MET A 52 6.456 0.521 1.168 1.00 0.00 C ATOM 836 SD MET A 52 8.153 1.112 1.386 1.00 0.00 S ATOM 837 CE MET A 52 7.826 2.253 2.752 1.00 0.00 C ATOM 0 H MET A 52 8.366 -1.653 -0.790 1.00 0.00 H new ATOM 0 HA MET A 52 7.822 -1.358 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.741 -0.705 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.477 -1.280 0.479 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.881 1.241 0.585 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.965 0.430 2.137 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.745 2.777 3.016 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.070 2.977 2.448 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.466 1.693 3.615 1.00 0.00 H new ATOM 847 N ILE A 53 6.587 -3.917 0.453 1.00 0.00 N ATOM 848 CA ILE A 53 5.938 -5.241 0.695 1.00 0.00 C ATOM 849 C ILE A 53 6.929 -6.236 1.301 1.00 0.00 C ATOM 850 O ILE A 53 6.598 -7.380 1.540 1.00 0.00 O ATOM 851 CB ILE A 53 5.465 -5.728 -0.676 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.671 -6.183 -1.502 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.739 -4.594 -1.404 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.623 -7.700 -1.680 1.00 0.00 C ATOM 0 H ILE A 53 6.808 -3.713 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 53 5.113 -5.153 1.402 1.00 0.00 H new ATOM 0 HB ILE A 53 4.780 -6.566 -0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.665 -5.692 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.596 -5.894 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.403 -4.944 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.877 -4.277 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.418 -3.752 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.481 -8.025 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.649 -8.182 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.704 -7.977 -2.196 1.00 0.00 H new ATOM 866 N LYS A 54 8.137 -5.821 1.564 1.00 0.00 N ATOM 867 CA LYS A 54 9.126 -6.757 2.167 1.00 0.00 C ATOM 868 C LYS A 54 9.558 -6.231 3.536 1.00 0.00 C ATOM 869 O LYS A 54 10.158 -6.934 4.325 1.00 0.00 O ATOM 870 CB LYS A 54 10.306 -6.770 1.196 1.00 0.00 C ATOM 871 CG LYS A 54 11.506 -7.448 1.861 1.00 0.00 C ATOM 872 CD LYS A 54 12.646 -7.578 0.849 1.00 0.00 C ATOM 873 CE LYS A 54 13.020 -6.191 0.321 1.00 0.00 C ATOM 874 NZ LYS A 54 14.103 -6.437 -0.672 1.00 0.00 N ATOM 0 H LYS A 54 8.481 -4.877 1.388 1.00 0.00 H new ATOM 0 HA LYS A 54 8.721 -7.758 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.034 -7.301 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.564 -5.751 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.835 -6.866 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.221 -8.433 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.512 -8.046 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.343 -8.223 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.164 -5.701 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.363 -5.541 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.413 -5.532 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.907 -6.899 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.746 -7.053 -1.430 1.00 0.00 H new ATOM 888 N PHE A 55 9.254 -4.994 3.820 1.00 0.00 N ATOM 889 CA PHE A 55 9.638 -4.409 5.135 1.00 0.00 C ATOM 890 C PHE A 55 8.872 -5.108 6.262 1.00 0.00 C ATOM 891 O PHE A 55 7.704 -5.417 6.133 1.00 0.00 O ATOM 892 CB PHE A 55 9.235 -2.937 5.044 1.00 0.00 C ATOM 893 CG PHE A 55 10.439 -2.102 4.675 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.408 -2.609 3.800 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.585 -0.815 5.211 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.521 -1.830 3.463 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.699 -0.038 4.874 1.00 0.00 C ATOM 898 CZ PHE A 55 12.667 -0.546 3.999 1.00 0.00 C ATOM 0 H PHE A 55 8.754 -4.361 3.195 1.00 0.00 H new ATOM 0 HA PHE A 55 10.700 -4.527 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.450 -2.810 4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.826 -2.602 5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.297 -3.600 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.837 -0.423 5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.268 -2.221 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.812 0.953 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.527 0.054 3.738 1.00 0.00 H new ATOM 908 N ASN A 56 9.520 -5.360 7.365 1.00 0.00 N ATOM 909 CA ASN A 56 8.834 -6.042 8.500 1.00 0.00 C ATOM 910 C ASN A 56 7.587 -5.257 8.924 1.00 0.00 C ATOM 911 O ASN A 56 6.689 -5.790 9.544 1.00 0.00 O ATOM 912 CB ASN A 56 9.863 -6.059 9.630 1.00 0.00 C ATOM 913 CG ASN A 56 9.484 -7.134 10.650 1.00 0.00 C ATOM 914 OD1 ASN A 56 10.100 -8.181 10.704 1.00 0.00 O ATOM 915 ND2 ASN A 56 8.490 -6.919 11.467 1.00 0.00 N ATOM 0 H ASN A 56 10.498 -5.123 7.531 1.00 0.00 H new ATOM 0 HA ASN A 56 8.499 -7.044 8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.857 -6.258 9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.904 -5.083 10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.229 -7.629 12.151 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.973 -6.041 11.422 1.00 0.00 H new ATOM 922 N ARG A 57 7.533 -3.992 8.609 1.00 0.00 N ATOM 923 CA ARG A 57 6.352 -3.171 9.008 1.00 0.00 C ATOM 924 C ARG A 57 5.132 -3.495 8.136 1.00 0.00 C ATOM 925 O ARG A 57 4.032 -3.640 8.630 1.00 0.00 O ATOM 926 CB ARG A 57 6.792 -1.723 8.794 1.00 0.00 C ATOM 927 CG ARG A 57 7.605 -1.253 10.002 1.00 0.00 C ATOM 928 CD ARG A 57 6.876 -0.099 10.692 1.00 0.00 C ATOM 929 NE ARG A 57 7.298 -0.175 12.119 1.00 0.00 N ATOM 930 CZ ARG A 57 6.776 -1.075 12.908 1.00 0.00 C ATOM 931 NH1 ARG A 57 5.882 -1.909 12.450 1.00 0.00 N ATOM 932 NH2 ARG A 57 7.147 -1.138 14.157 1.00 0.00 N ATOM 0 H ARG A 57 8.255 -3.490 8.092 1.00 0.00 H new ATOM 0 HA ARG A 57 6.052 -3.367 10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.390 -1.644 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.920 -1.083 8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.746 -2.077 10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.597 -0.932 9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.148 0.860 10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.795 -0.200 10.594 1.00 0.00 H new ATOM 0 HE ARG A 57 7.995 0.476 12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.590 -1.858 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.476 -2.611 13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.844 -0.485 14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.740 -1.840 14.775 1.00 0.00 H new ATOM 946 N LEU A 58 5.310 -3.595 6.847 1.00 0.00 N ATOM 947 CA LEU A 58 4.144 -3.893 5.961 1.00 0.00 C ATOM 948 C LEU A 58 4.133 -5.367 5.545 1.00 0.00 C ATOM 949 O LEU A 58 3.090 -5.981 5.436 1.00 0.00 O ATOM 950 CB LEU A 58 4.337 -2.997 4.738 1.00 0.00 C ATOM 951 CG LEU A 58 3.046 -2.967 3.918 1.00 0.00 C ATOM 952 CD1 LEU A 58 2.284 -1.674 4.209 1.00 0.00 C ATOM 953 CD2 LEU A 58 3.387 -3.032 2.427 1.00 0.00 C ATOM 0 H LEU A 58 6.205 -3.485 6.370 1.00 0.00 H new ATOM 0 HA LEU A 58 3.196 -3.707 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.604 -1.988 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.160 -3.369 4.127 1.00 0.00 H new ATOM 0 HG LEU A 58 2.426 -3.822 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.364 -1.654 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.040 -1.626 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.903 -0.818 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.467 -3.011 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.008 -2.177 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.929 -3.954 2.218 1.00 0.00 H new ATOM 965 N ASN A 59 5.280 -5.942 5.307 1.00 0.00 N ATOM 966 CA ASN A 59 5.318 -7.375 4.894 1.00 0.00 C ATOM 967 C ASN A 59 4.593 -8.243 5.927 1.00 0.00 C ATOM 968 O ASN A 59 4.152 -9.337 5.632 1.00 0.00 O ATOM 969 CB ASN A 59 6.803 -7.734 4.833 1.00 0.00 C ATOM 970 CG ASN A 59 7.336 -7.955 6.249 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.838 -7.377 7.194 1.00 0.00 O ATOM 972 ND2 ASN A 59 8.335 -8.773 6.437 1.00 0.00 N ATOM 0 H ASN A 59 6.189 -5.485 5.380 1.00 0.00 H new ATOM 0 HA ASN A 59 4.822 -7.542 3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.946 -8.634 4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.361 -6.935 4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.698 -8.927 7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.753 -9.258 5.643 1.00 0.00 H new ATOM 979 N ARG A 60 4.465 -7.766 7.134 1.00 0.00 N ATOM 980 CA ARG A 60 3.769 -8.565 8.182 1.00 0.00 C ATOM 981 C ARG A 60 2.275 -8.663 7.863 1.00 0.00 C ATOM 982 O ARG A 60 1.533 -9.363 8.524 1.00 0.00 O ATOM 983 CB ARG A 60 3.992 -7.793 9.483 1.00 0.00 C ATOM 984 CG ARG A 60 4.610 -8.722 10.528 1.00 0.00 C ATOM 985 CD ARG A 60 3.665 -8.847 11.725 1.00 0.00 C ATOM 986 NE ARG A 60 3.153 -10.245 11.666 1.00 0.00 N ATOM 987 CZ ARG A 60 2.111 -10.590 12.373 1.00 0.00 C ATOM 988 NH1 ARG A 60 1.517 -9.713 13.135 1.00 0.00 N ATOM 989 NH2 ARG A 60 1.664 -11.815 12.318 1.00 0.00 N ATOM 0 H ARG A 60 4.812 -6.857 7.440 1.00 0.00 H new ATOM 0 HA ARG A 60 4.148 -9.585 8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.648 -6.941 9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.045 -7.395 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.794 -9.704 10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.574 -8.331 10.852 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.188 -8.657 12.662 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.851 -8.125 11.662 1.00 0.00 H new ATOM 0 HE ARG A 60 3.617 -10.933 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.867 -8.756 13.179 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.703 -9.985 13.686 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.129 -12.501 11.723 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.850 -12.086 12.870 1.00 0.00 H new ATOM 1003 N LEU A 61 1.829 -7.965 6.855 1.00 0.00 N ATOM 1004 CA LEU A 61 0.383 -8.017 6.493 1.00 0.00 C ATOM 1005 C LEU A 61 0.224 -8.208 4.980 1.00 0.00 C ATOM 1006 O LEU A 61 0.826 -9.084 4.390 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.182 -6.666 6.932 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.001 -6.503 8.441 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -0.458 -5.104 8.861 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -0.841 -7.554 9.171 1.00 0.00 C ATOM 0 H LEU A 61 2.402 -7.361 6.266 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.136 -8.848 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.326 -5.859 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.239 -6.600 6.673 1.00 0.00 H new ATOM 0 HG LEU A 61 1.050 -6.635 8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.329 -4.987 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.139 -4.355 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.509 -4.973 8.605 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.713 -7.439 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.892 -7.422 8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.517 -8.551 8.872 1.00 0.00 H new ATOM 1022 N THR A 62 -0.579 -7.397 4.347 1.00 0.00 N ATOM 1023 CA THR A 62 -0.772 -7.538 2.875 1.00 0.00 C ATOM 1024 C THR A 62 0.574 -7.436 2.151 1.00 0.00 C ATOM 1025 O THR A 62 1.379 -6.572 2.437 1.00 0.00 O ATOM 1026 CB THR A 62 -1.681 -6.373 2.479 1.00 0.00 C ATOM 1027 OG1 THR A 62 -3.018 -6.668 2.863 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.617 -6.164 0.964 1.00 0.00 C ATOM 0 H THR A 62 -1.109 -6.644 4.785 1.00 0.00 H new ATOM 0 HA THR A 62 -1.205 -8.502 2.608 1.00 0.00 H new ATOM 0 HB THR A 62 -1.349 -5.465 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.184 -7.628 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.265 -5.334 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.592 -5.939 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.949 -7.070 0.457 1.00 0.00 H new ATOM 1036 N THR A 63 0.821 -8.309 1.214 1.00 0.00 N ATOM 1037 CA THR A 63 2.111 -8.262 0.470 1.00 0.00 C ATOM 1038 C THR A 63 1.877 -8.583 -1.007 1.00 0.00 C ATOM 1039 O THR A 63 2.806 -8.781 -1.766 1.00 0.00 O ATOM 1040 CB THR A 63 2.986 -9.335 1.122 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.188 -10.471 1.426 1.00 0.00 O ATOM 1042 CG2 THR A 63 3.602 -8.782 2.409 1.00 0.00 C ATOM 0 H THR A 63 0.184 -9.054 0.931 1.00 0.00 H new ATOM 0 HA THR A 63 2.578 -7.278 0.512 1.00 0.00 H new ATOM 0 HB THR A 63 3.783 -9.622 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.746 -11.161 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.225 -9.547 2.872 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.213 -7.910 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.808 -8.494 3.098 1.00 0.00 H new ATOM 1050 N ASP A 64 0.640 -8.638 -1.421 1.00 0.00 N ATOM 1051 CA ASP A 64 0.342 -8.948 -2.849 1.00 0.00 C ATOM 1052 C ASP A 64 0.397 -7.671 -3.692 1.00 0.00 C ATOM 1053 O ASP A 64 -0.513 -6.866 -3.674 1.00 0.00 O ATOM 1054 CB ASP A 64 -1.074 -9.526 -2.840 1.00 0.00 C ATOM 1055 CG ASP A 64 -1.002 -11.053 -2.844 1.00 0.00 C ATOM 1056 OD1 ASP A 64 0.059 -11.576 -3.138 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -2.011 -11.675 -2.552 1.00 0.00 O ATOM 0 H ASP A 64 -0.178 -8.482 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 64 1.063 -9.642 -3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.614 -9.179 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.627 -9.175 -3.711 1.00 0.00 H new ATOM 1062 N PHE A 65 1.460 -7.482 -4.426 1.00 0.00 N ATOM 1063 CA PHE A 65 1.580 -6.258 -5.271 1.00 0.00 C ATOM 1064 C PHE A 65 0.215 -5.867 -5.842 1.00 0.00 C ATOM 1065 O PHE A 65 -0.125 -4.704 -5.917 1.00 0.00 O ATOM 1066 CB PHE A 65 2.536 -6.646 -6.399 1.00 0.00 C ATOM 1067 CG PHE A 65 3.955 -6.639 -5.885 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.403 -5.590 -5.074 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.825 -7.684 -6.222 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.719 -5.585 -4.601 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.141 -7.679 -5.749 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.589 -6.629 -4.938 1.00 0.00 C ATOM 0 H PHE A 65 2.252 -8.123 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 65 1.943 -5.402 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.282 -7.635 -6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.436 -5.948 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.732 -4.784 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.479 -8.494 -6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.064 -4.775 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.812 -8.485 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.605 -6.624 -4.573 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.570 -6.827 -6.250 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.909 -6.495 -6.816 1.00 0.00 C ATOM 1084 C ASN A 66 -2.852 -6.018 -5.707 1.00 0.00 C ATOM 1085 O ASN A 66 -3.576 -5.057 -5.868 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.416 -7.804 -7.424 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.456 -7.678 -8.947 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -1.581 -7.080 -9.543 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -3.440 -8.221 -9.609 1.00 0.00 N ATOM 0 H ASN A 66 -0.344 -7.821 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.858 -5.694 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.765 -8.628 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.410 -8.034 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.475 -8.144 -10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.175 -8.723 -9.110 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.846 -6.678 -4.580 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.738 -6.256 -3.461 1.00 0.00 C ATOM 1098 C VAL A 67 -3.233 -4.951 -2.838 1.00 0.00 C ATOM 1099 O VAL A 67 -3.997 -4.055 -2.539 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.670 -7.397 -2.446 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.522 -7.047 -1.226 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -4.205 -8.679 -3.089 1.00 0.00 C ATOM 0 H VAL A 67 -2.262 -7.491 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.758 -6.070 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.636 -7.547 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.473 -7.861 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.145 -6.132 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.557 -6.898 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.158 -9.495 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.239 -8.527 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.599 -8.929 -3.960 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.948 -4.847 -2.629 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.384 -3.610 -2.014 1.00 0.00 C ATOM 1114 C ILE A 68 -1.636 -2.402 -2.918 1.00 0.00 C ATOM 1115 O ILE A 68 -2.066 -1.358 -2.470 1.00 0.00 O ATOM 1116 CB ILE A 68 0.114 -3.892 -1.885 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.732 -2.920 -0.871 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.798 -3.733 -3.244 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.781 -2.041 -1.559 1.00 0.00 C ATOM 0 H ILE A 68 -1.263 -5.567 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.841 -3.376 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 68 0.258 -4.915 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.046 -2.296 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.191 -3.477 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.864 -3.936 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.362 -4.435 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.656 -2.715 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.214 -1.354 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.567 -2.671 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.310 -1.471 -2.360 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.375 -2.538 -4.185 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.604 -1.397 -5.118 1.00 0.00 C ATOM 1133 C VAL A 69 -3.101 -1.096 -5.223 1.00 0.00 C ATOM 1134 O VAL A 69 -3.508 0.040 -5.360 1.00 0.00 O ATOM 1135 CB VAL A 69 -1.055 -1.864 -6.466 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.426 -2.214 -6.323 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.829 -3.099 -6.930 1.00 0.00 C ATOM 0 H VAL A 69 -1.013 -3.388 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.117 -0.483 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.168 -1.066 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.816 -2.547 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.978 -1.334 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.542 -3.011 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.439 -3.433 -7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.716 -3.896 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.885 -2.849 -7.034 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.923 -2.107 -5.160 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.394 -1.882 -5.257 1.00 0.00 C ATOM 1149 C GLU A 70 -5.878 -1.012 -4.093 1.00 0.00 C ATOM 1150 O GLU A 70 -6.711 -0.144 -4.259 1.00 0.00 O ATOM 1151 CB GLU A 70 -6.014 -3.277 -5.175 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.888 -3.522 -6.407 1.00 0.00 C ATOM 1153 CD GLU A 70 -8.351 -3.642 -5.978 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -8.665 -4.580 -5.262 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -9.134 -2.793 -6.371 1.00 0.00 O ATOM 0 H GLU A 70 -3.640 -3.080 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.671 -1.364 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.230 -4.032 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.612 -3.368 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.772 -2.703 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.571 -4.432 -6.916 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.365 -1.241 -2.914 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.801 -0.428 -1.742 1.00 0.00 C ATOM 1164 C ALA A 71 -5.382 1.033 -1.921 1.00 0.00 C ATOM 1165 O ALA A 71 -6.183 1.938 -1.798 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.088 -1.049 -0.540 1.00 0.00 C ATOM 0 H ALA A 71 -4.664 -1.954 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.884 -0.432 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.358 -0.504 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.387 -2.092 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.010 -0.994 -0.688 1.00 0.00 H new ATOM 1172 N LEU A 72 -4.133 1.273 -2.211 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.670 2.678 -2.397 1.00 0.00 C ATOM 1174 C LEU A 72 -4.257 3.259 -3.687 1.00 0.00 C ATOM 1175 O LEU A 72 -4.470 4.449 -3.803 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.144 2.586 -2.487 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.731 2.203 -3.910 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -1.635 3.464 -4.770 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -0.370 1.506 -3.875 1.00 0.00 C ATOM 0 H LEU A 72 -3.414 0.559 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.987 3.331 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.696 3.541 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.773 1.845 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.475 1.529 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.341 3.192 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.604 3.962 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.891 4.138 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.075 1.233 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.373 2.180 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.437 0.607 -3.262 1.00 0.00 H new ATOM 1191 N SER A 73 -4.521 2.426 -4.657 1.00 0.00 N ATOM 1192 CA SER A 73 -5.095 2.929 -5.938 1.00 0.00 C ATOM 1193 C SER A 73 -6.504 3.480 -5.704 1.00 0.00 C ATOM 1194 O SER A 73 -6.892 4.481 -6.274 1.00 0.00 O ATOM 1195 CB SER A 73 -5.141 1.710 -6.858 1.00 0.00 C ATOM 1196 OG SER A 73 -5.650 2.100 -8.128 1.00 0.00 O ATOM 0 H SER A 73 -4.364 1.419 -4.618 1.00 0.00 H new ATOM 0 HA SER A 73 -4.504 3.739 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.143 1.285 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.772 0.935 -6.423 1.00 0.00 H new ATOM 0 HG SER A 73 -5.680 1.321 -8.722 1.00 0.00 H new ATOM 1301 N MET A 80 1.237 10.470 -1.221 1.00 0.00 N ATOM 1302 CA MET A 80 2.340 10.476 -2.225 1.00 0.00 C ATOM 1303 C MET A 80 1.773 10.287 -3.635 1.00 0.00 C ATOM 1304 O MET A 80 0.591 10.439 -3.867 1.00 0.00 O ATOM 1305 CB MET A 80 3.230 9.294 -1.843 1.00 0.00 C ATOM 1306 CG MET A 80 4.418 9.794 -1.022 1.00 0.00 C ATOM 1307 SD MET A 80 5.840 8.705 -1.289 1.00 0.00 S ATOM 1308 CE MET A 80 4.931 7.140 -1.292 1.00 0.00 C ATOM 0 HA MET A 80 2.891 11.417 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.658 8.566 -1.268 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.583 8.786 -2.740 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.669 10.815 -1.311 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.158 9.817 0.036 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.637 6.309 -1.284 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.297 7.086 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.311 7.081 -2.187 1.00 0.00 H new ATOM 1318 N GLU A 81 2.611 9.957 -4.580 1.00 0.00 N ATOM 1319 CA GLU A 81 2.124 9.759 -5.976 1.00 0.00 C ATOM 1320 C GLU A 81 2.679 8.452 -6.549 1.00 0.00 C ATOM 1321 O GLU A 81 3.845 8.146 -6.406 1.00 0.00 O ATOM 1322 CB GLU A 81 2.662 10.957 -6.757 1.00 0.00 C ATOM 1323 CG GLU A 81 1.745 12.163 -6.541 1.00 0.00 C ATOM 1324 CD GLU A 81 0.948 12.435 -7.819 1.00 0.00 C ATOM 1325 OE1 GLU A 81 1.484 12.198 -8.889 1.00 0.00 O ATOM 1326 OE2 GLU A 81 -0.183 12.876 -7.705 1.00 0.00 O ATOM 0 H GLU A 81 3.612 9.816 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 81 1.037 9.693 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.674 11.193 -6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.719 10.716 -7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.066 11.972 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.336 13.039 -6.275 1.00 0.00 H new ATOM 1333 N ILE A 82 1.850 7.679 -7.197 1.00 0.00 N ATOM 1334 CA ILE A 82 2.330 6.393 -7.780 1.00 0.00 C ATOM 1335 C ILE A 82 2.520 6.537 -9.292 1.00 0.00 C ATOM 1336 O ILE A 82 1.762 7.213 -9.961 1.00 0.00 O ATOM 1337 CB ILE A 82 1.226 5.381 -7.472 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.872 5.451 -5.984 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.716 3.972 -7.812 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.574 5.922 -5.825 1.00 0.00 C ATOM 0 H ILE A 82 0.862 7.882 -7.348 1.00 0.00 H new ATOM 0 HA ILE A 82 3.291 6.085 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 82 0.344 5.613 -8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.999 4.472 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.547 6.136 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.929 3.250 -7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.970 3.921 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.598 3.740 -7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.826 5.972 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.686 6.910 -6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.242 5.220 -6.324 1.00 0.00 H new ATOM 1352 N SER A 83 3.525 5.909 -9.838 1.00 0.00 N ATOM 1353 CA SER A 83 3.760 6.015 -11.307 1.00 0.00 C ATOM 1354 C SER A 83 2.586 5.407 -12.078 1.00 0.00 C ATOM 1355 O SER A 83 1.539 5.135 -11.523 1.00 0.00 O ATOM 1356 CB SER A 83 5.037 5.219 -11.565 1.00 0.00 C ATOM 1357 OG SER A 83 6.112 5.808 -10.843 1.00 0.00 O ATOM 0 H SER A 83 4.193 5.328 -9.332 1.00 0.00 H new ATOM 0 HA SER A 83 3.852 7.051 -11.634 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.902 4.182 -11.257 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.263 5.208 -12.631 1.00 0.00 H new ATOM 0 HG SER A 83 5.767 6.520 -10.265 1.00 0.00 H new ATOM 1363 N GLU A 84 2.750 5.199 -13.354 1.00 0.00 N ATOM 1364 CA GLU A 84 1.645 4.617 -14.167 1.00 0.00 C ATOM 1365 C GLU A 84 1.630 3.087 -14.057 1.00 0.00 C ATOM 1366 O GLU A 84 0.679 2.442 -14.450 1.00 0.00 O ATOM 1367 CB GLU A 84 1.947 5.044 -15.604 1.00 0.00 C ATOM 1368 CG GLU A 84 1.024 6.200 -15.998 1.00 0.00 C ATOM 1369 CD GLU A 84 -0.227 5.645 -16.680 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -0.599 4.525 -16.372 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -0.793 6.350 -17.499 1.00 0.00 O ATOM 0 H GLU A 84 3.604 5.407 -13.871 1.00 0.00 H new ATOM 0 HA GLU A 84 0.668 4.961 -13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.989 5.351 -15.692 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.804 4.203 -16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.745 6.774 -15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.545 6.882 -16.670 1.00 0.00 H new ATOM 1378 N ASP A 85 2.674 2.496 -13.540 1.00 0.00 N ATOM 1379 CA ASP A 85 2.695 1.008 -13.431 1.00 0.00 C ATOM 1380 C ASP A 85 1.968 0.543 -12.164 1.00 0.00 C ATOM 1381 O ASP A 85 1.660 -0.621 -12.010 1.00 0.00 O ATOM 1382 CB ASP A 85 4.176 0.637 -13.363 1.00 0.00 C ATOM 1383 CG ASP A 85 4.951 1.426 -14.420 1.00 0.00 C ATOM 1384 OD1 ASP A 85 4.321 1.924 -15.339 1.00 0.00 O ATOM 1385 OD2 ASP A 85 6.161 1.517 -14.296 1.00 0.00 O ATOM 0 H ASP A 85 3.505 2.973 -13.192 1.00 0.00 H new ATOM 0 HA ASP A 85 2.189 0.533 -14.271 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.571 0.854 -12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.301 -0.433 -13.529 1.00 0.00 H new ATOM 1390 N LYS A 86 1.694 1.440 -11.255 1.00 0.00 N ATOM 1391 CA LYS A 86 0.989 1.043 -10.001 1.00 0.00 C ATOM 1392 C LYS A 86 1.877 0.118 -9.160 1.00 0.00 C ATOM 1393 O LYS A 86 1.449 -0.431 -8.164 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.268 0.304 -10.464 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.223 0.133 -9.282 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.608 0.661 -9.663 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.240 -0.269 -10.702 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.184 0.593 -11.464 1.00 0.00 N ATOM 0 H LYS A 86 1.928 2.430 -11.326 1.00 0.00 H new ATOM 0 HA LYS A 86 0.748 1.904 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.757 0.861 -11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.000 -0.670 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.287 -0.919 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.843 0.671 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.242 0.720 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.526 1.671 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.484 -0.702 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.761 -1.099 -10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.657 0.026 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.896 0.985 -10.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.659 1.370 -11.913 1.00 0.00 H new ATOM 1412 N THR A 87 3.110 -0.054 -9.551 1.00 0.00 N ATOM 1413 CA THR A 87 4.025 -0.939 -8.771 1.00 0.00 C ATOM 1414 C THR A 87 5.159 -0.110 -8.163 1.00 0.00 C ATOM 1415 O THR A 87 6.238 -0.607 -7.903 1.00 0.00 O ATOM 1416 CB THR A 87 4.576 -1.937 -9.790 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.440 -2.853 -9.134 1.00 0.00 O ATOM 1418 CG2 THR A 87 5.351 -1.187 -10.874 1.00 0.00 C ATOM 0 H THR A 87 3.524 0.379 -10.376 1.00 0.00 H new ATOM 0 HA THR A 87 3.517 -1.440 -7.947 1.00 0.00 H new ATOM 0 HB THR A 87 3.751 -2.481 -10.249 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.967 -2.378 -8.458 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.743 -1.899 -11.600 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.686 -0.485 -11.377 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.177 -0.641 -10.419 1.00 0.00 H new ATOM 1426 N LYS A 88 4.922 1.152 -7.941 1.00 0.00 N ATOM 1427 CA LYS A 88 5.979 2.027 -7.359 1.00 0.00 C ATOM 1428 C LYS A 88 5.344 3.293 -6.776 1.00 0.00 C ATOM 1429 O LYS A 88 4.269 3.695 -7.170 1.00 0.00 O ATOM 1430 CB LYS A 88 6.907 2.368 -8.524 1.00 0.00 C ATOM 1431 CG LYS A 88 6.121 3.104 -9.608 1.00 0.00 C ATOM 1432 CD LYS A 88 6.240 2.343 -10.930 1.00 0.00 C ATOM 1433 CE LYS A 88 7.234 3.062 -11.846 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.077 1.979 -12.423 1.00 0.00 N ATOM 0 H LYS A 88 4.037 1.618 -8.139 1.00 0.00 H new ATOM 0 HA LYS A 88 6.521 1.541 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.732 2.988 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.344 1.457 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.074 3.189 -9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.503 4.118 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.573 1.322 -10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.265 2.278 -11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.718 3.620 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.838 3.778 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.945 2.390 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.327 1.299 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.549 1.490 -13.174 1.00 0.00 H new ATOM 1448 N ILE A 89 6.006 3.933 -5.851 1.00 0.00 N ATOM 1449 CA ILE A 89 5.444 5.182 -5.260 1.00 0.00 C ATOM 1450 C ILE A 89 6.567 6.205 -5.068 1.00 0.00 C ATOM 1451 O ILE A 89 7.732 5.863 -5.065 1.00 0.00 O ATOM 1452 CB ILE A 89 4.847 4.761 -3.916 1.00 0.00 C ATOM 1453 CG1 ILE A 89 5.923 4.088 -3.062 1.00 0.00 C ATOM 1454 CG2 ILE A 89 3.700 3.777 -4.158 1.00 0.00 C ATOM 1455 CD1 ILE A 89 5.266 3.356 -1.891 1.00 0.00 C ATOM 0 H ILE A 89 6.911 3.646 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 89 4.691 5.647 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 89 4.472 5.641 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.496 3.386 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.625 4.834 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.272 3.475 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.931 4.256 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.079 2.898 -4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.034 2.877 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.713 4.070 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.582 2.599 -2.273 1.00 0.00 H new ATOM 1467 N ARG A 90 6.235 7.457 -4.927 1.00 0.00 N ATOM 1468 CA ARG A 90 7.299 8.488 -4.757 1.00 0.00 C ATOM 1469 C ARG A 90 6.788 9.667 -3.928 1.00 0.00 C ATOM 1470 O ARG A 90 5.600 9.908 -3.836 1.00 0.00 O ATOM 1471 CB ARG A 90 7.641 8.940 -6.176 1.00 0.00 C ATOM 1472 CG ARG A 90 8.431 10.248 -6.118 1.00 0.00 C ATOM 1473 CD ARG A 90 8.842 10.661 -7.533 1.00 0.00 C ATOM 1474 NE ARG A 90 7.845 11.691 -7.936 1.00 0.00 N ATOM 1475 CZ ARG A 90 8.039 12.404 -9.013 1.00 0.00 C ATOM 1476 NH1 ARG A 90 9.108 12.213 -9.739 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.164 13.305 -9.366 1.00 0.00 N ATOM 0 H ARG A 90 5.279 7.811 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 90 8.167 8.092 -4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.225 8.172 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.728 9.080 -6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.825 11.031 -5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.315 10.123 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.855 11.064 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.827 9.809 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 90 7.009 11.840 -7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.791 11.507 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.259 12.770 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.328 13.453 -8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.316 13.862 -10.207 1.00 0.00 H new ATOM 1491 N ARG A 91 7.680 10.419 -3.344 1.00 0.00 N ATOM 1492 CA ARG A 91 7.257 11.602 -2.544 1.00 0.00 C ATOM 1493 C ARG A 91 7.138 12.809 -3.477 1.00 0.00 C ATOM 1494 O ARG A 91 7.979 13.025 -4.325 1.00 0.00 O ATOM 1495 CB ARG A 91 8.375 11.814 -1.520 1.00 0.00 C ATOM 1496 CG ARG A 91 8.520 13.307 -1.213 1.00 0.00 C ATOM 1497 CD ARG A 91 9.489 13.499 -0.046 1.00 0.00 C ATOM 1498 NE ARG A 91 10.069 14.856 -0.245 1.00 0.00 N ATOM 1499 CZ ARG A 91 10.942 15.062 -1.195 1.00 0.00 C ATOM 1500 NH1 ARG A 91 11.306 14.079 -1.973 1.00 0.00 N ATOM 1501 NH2 ARG A 91 11.448 16.252 -1.366 1.00 0.00 N ATOM 0 H ARG A 91 8.687 10.264 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 91 6.294 11.465 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.152 11.265 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.315 11.420 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.886 13.836 -2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.548 13.734 -0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.973 13.427 0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.265 12.734 -0.048 1.00 0.00 H new ATOM 0 HE ARG A 91 9.784 15.626 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.909 13.149 -1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.988 14.241 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.162 17.020 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.130 16.415 -2.107 1.00 0.00 H new ATOM 1515 N SER A 92 6.103 13.589 -3.346 1.00 0.00 N ATOM 1516 CA SER A 92 5.951 14.761 -4.248 1.00 0.00 C ATOM 1517 C SER A 92 7.075 15.765 -4.004 1.00 0.00 C ATOM 1518 O SER A 92 7.087 16.454 -3.003 1.00 0.00 O ATOM 1519 CB SER A 92 4.598 15.370 -3.882 1.00 0.00 C ATOM 1520 OG SER A 92 3.646 15.032 -4.881 1.00 0.00 O ATOM 0 H SER A 92 5.360 13.467 -2.658 1.00 0.00 H new ATOM 0 HA SER A 92 6.000 14.481 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.270 15.000 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.685 16.453 -3.797 1.00 0.00 H new ATOM 0 HG SER A 92 2.776 15.420 -4.649 1.00 0.00 H new ATOM 1526 N PRO A 93 7.981 15.823 -4.940 1.00 0.00 N ATOM 1527 CA PRO A 93 9.118 16.766 -4.832 1.00 0.00 C ATOM 1528 C PRO A 93 8.571 18.188 -4.868 1.00 0.00 C ATOM 1529 O PRO A 93 9.208 19.130 -4.442 1.00 0.00 O ATOM 1530 CB PRO A 93 9.956 16.474 -6.077 1.00 0.00 C ATOM 1531 CG PRO A 93 9.014 15.799 -7.020 1.00 0.00 C ATOM 1532 CD PRO A 93 8.034 15.037 -6.175 1.00 0.00 C ATOM 0 HA PRO A 93 9.700 16.660 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.358 17.391 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.806 15.834 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.501 16.530 -7.645 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.551 15.128 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.056 14.970 -6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.369 14.017 -5.990 1.00 0.00 H new ATOM 1540 N SER A 94 7.379 18.335 -5.376 1.00 0.00 N ATOM 1541 CA SER A 94 6.758 19.680 -5.446 1.00 0.00 C ATOM 1542 C SER A 94 6.189 20.061 -4.081 1.00 0.00 C ATOM 1543 O SER A 94 5.714 21.163 -3.888 1.00 0.00 O ATOM 1544 CB SER A 94 5.637 19.546 -6.478 1.00 0.00 C ATOM 1545 OG SER A 94 6.189 19.634 -7.785 1.00 0.00 O ATOM 0 H SER A 94 6.808 17.575 -5.747 1.00 0.00 H new ATOM 0 HA SER A 94 7.473 20.455 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.122 18.593 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.895 20.331 -6.330 1.00 0.00 H new ATOM 0 HG SER A 94 5.473 19.547 -8.449 1.00 0.00 H new ATOM 1551 N LYS A 95 6.255 19.178 -3.116 1.00 0.00 N ATOM 1552 CA LYS A 95 5.744 19.523 -1.758 1.00 0.00 C ATOM 1553 C LYS A 95 6.901 19.430 -0.757 1.00 0.00 C ATOM 1554 O LYS A 95 7.558 18.411 -0.672 1.00 0.00 O ATOM 1555 CB LYS A 95 4.678 18.469 -1.452 1.00 0.00 C ATOM 1556 CG LYS A 95 3.340 19.161 -1.181 1.00 0.00 C ATOM 1557 CD LYS A 95 2.199 18.299 -1.725 1.00 0.00 C ATOM 1558 CE LYS A 95 1.000 18.380 -0.778 1.00 0.00 C ATOM 1559 NZ LYS A 95 0.722 16.971 -0.388 1.00 0.00 N ATOM 0 H LYS A 95 6.639 18.238 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 95 5.332 20.531 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.580 17.781 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.975 17.876 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.211 19.320 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.325 20.143 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.914 18.641 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.527 17.264 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.226 18.994 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.138 18.831 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.089 16.944 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.503 16.412 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.557 16.570 0.084 1.00 0.00 H new ATOM 1573 N PRO A 96 7.130 20.497 -0.043 1.00 0.00 N ATOM 1574 CA PRO A 96 8.239 20.516 0.941 1.00 0.00 C ATOM 1575 C PRO A 96 7.955 19.585 2.118 1.00 0.00 C ATOM 1576 O PRO A 96 6.830 19.419 2.546 1.00 0.00 O ATOM 1577 CB PRO A 96 8.300 21.957 1.414 1.00 0.00 C ATOM 1578 CG PRO A 96 6.960 22.543 1.087 1.00 0.00 C ATOM 1579 CD PRO A 96 6.396 21.764 -0.076 1.00 0.00 C ATOM 0 HA PRO A 96 9.176 20.173 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.501 22.011 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.100 22.501 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.294 22.482 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.055 23.598 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.323 21.607 0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.548 22.289 -1.019 1.00 0.00 H new ATOM 1587 N LEU A 97 8.986 19.012 2.663 1.00 0.00 N ATOM 1588 CA LEU A 97 8.831 18.123 3.840 1.00 0.00 C ATOM 1589 C LEU A 97 9.721 18.649 4.954 1.00 0.00 C ATOM 1590 O LEU A 97 10.924 18.722 4.814 1.00 0.00 O ATOM 1591 CB LEU A 97 9.237 16.715 3.393 1.00 0.00 C ATOM 1592 CG LEU A 97 10.683 16.409 3.796 1.00 0.00 C ATOM 1593 CD1 LEU A 97 10.743 16.116 5.297 1.00 0.00 C ATOM 1594 CD2 LEU A 97 11.175 15.183 3.024 1.00 0.00 C ATOM 0 H LEU A 97 9.946 19.125 2.336 1.00 0.00 H new ATOM 0 HA LEU A 97 7.809 18.095 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.567 15.980 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.130 16.627 2.312 1.00 0.00 H new ATOM 0 HG LEU A 97 11.314 17.267 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.772 15.898 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.387 16.984 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.113 15.257 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.204 14.963 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.542 14.327 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.130 15.385 1.954 1.00 0.00 H new